Extend Vasp calculator to do multiple calculations in the same rundir with different parameters. Useful for doing, e.g., a converged GGA calculation and use WAVECAR to start hybrid functional.
Should perhaps be generalized for other calculators, but not entirely clear how yet.
Extend Vasp calculator to do multiple calculations in the same rundir with different parameters. Useful for doing, e.g., a converged GGA calculation and use WAVECAR to start hybrid functional.
Should perhaps be generalized for other calculators, but not entirely clear how yet.